(2S)-2-Ethylmorpholine

CAS Number: 74572-14-8
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CC[C@@H]1OCCNC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C6H13NO
Molecular Weight
115.175
Drug-likeness
1.7087
CAS
74572-14-8
InChI key
RGNFMQJLAOONTP-LURJTMIESA-N
SMILES
CC[C@@H]1OCCNC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 74572-14-8
Molecule Name (2S)-2-Ethylmorpholine
Molecular Formula C6H13NO
SMILES CC[C@@H]1OCCNC1
InChI InChI=1S/C6H13NO/c1-2-6-5-7-3-4-8-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChI Key RGNFMQJLAOONTP-LURJTMIESA-N
CanonicalSyTyLFy c67c2d4837c9d3f3
TotalMolweight 115.175
Molecular Weight 115.175
MonoisotopicMass 115.099714
CLogP 0.3596
CLogS -0.884
H Acceptors 2
H Donors 1
TotalSurfaceArea 101.26
Relative PSA 0.21193
PolarSurfaceArea 21.26
Drug-likeness 1.7087
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Molecula Flexibility 0.36847
Molecular Complexity 0.59947
Fragments 1
Non HAtoms 8
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 1
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon this enantiomer

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